SCHEMBL6701358

SCHEMBL6701358

O=C(N1CCOCC1)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.76
OPRL1 P41146 9/20 0.69
OPRD1 P41143 3/20 0.57
ABCB11 O95342 2/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
THPO P40225 2/20 0.52
MTOR P42345 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
EBP Q15125 1/20 0.52
SCN1A P35498 2/20 0.52
SCN2A Q99250 2/20 0.52
SCN3A Q9NY46 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PMP22 Q01453 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7744512 0.81 OPRM1 (0.66) OPRM1OPRL1OPRD1ABCB11TP53
SCHEMBL6695001 0.80 OPRM1 (0.65) OPRM1OPRL1OPRD1ABCB11TP53
Hydrochloric Acid SCHEMBL7738855 0.79 OPRM1 (0.64) OPRM1OPRL1OPRD1ABCB11TP53
SCHEMBL8728977 0.78 OPRM1 (0.48) OPRM1OPRL1OPRD1ABCB11TP53
SCHEMBL6928815 0.78 OPRM1 (0.74) OPRM1OPRL1OPRD1ABCB11TP53
Desmethylmoramide SCHEMBL2111155 0.76 OPRM1 (0.68) OPRM1OPRD1CYP2D6MAPK1SMN1; SMN2
SCHEMBL6694942 0.76 OPRM1 (0.65) OPRM1OPRL1OPRD1ABCB11TP53
SCHEMBL9053345 0.74 ABCB11 (0.85) OPRM1OPRL1OPRD1ABCB11TP53
SCHEMBL6695688 0.73 OPRM1 (0.67) OPRM1OPRL1OPRD1ABCB11TP53
SCHEMBL2925749 0.73 OPRM1 (0.63) OPRM1OPRL1OPRD1ABCB11TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP claimed
EP-0888141-B1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND THEIR USE FOR TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2004-05-26 EP claimed
US-6576650-B1 No central nervous system side effects REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-10 US claimed
EP-1019051-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-05-28 EP claimed
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US claimed
JP-2001510157-A 2001-07-31 JP claimed
EP-0888141-A4 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2001-01-17 EP claimed
US-6166039-A Peripherally active anti-hyperalgesic opiates REGENTS OF THE UNIV. OF CALIFORNIA (US) 2000-12-26 US claimed
EP-1019051-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2000-07-19 EP claimed
EP-1003489-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC AND PRURITIC CONDITIONS THEREWITH Adolor Corporation (US) 2000-05-31 EP claimed
WO-1999003455-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC AND PRURITIC CONDITIONS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 WO claimed
WO-1999003472-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 1999-01-28 WO claimed
EP-0888141-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH Adolor Corporation (US) 1999-01-07 EP claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997033634-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORPORATION (US) 1997-09-18 WO claimed
US-5667773-A Film-forming compositions of antihyperalgesic opiates and method of treating hyperalgesic conditions therewith ADOLOR CORPORATION (US) 1997-09-16 US claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed
EP-0888141-B1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND THEIR USE FOR TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2004-05-26 EP disclosed
US-5667773-A Film-forming compositions of antihyperalgesic opiates and method of treating hyperalgesic conditions therewith ADOLOR CORPORATION (US) 1997-09-16 US disclosed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO disclosed